methyl 2-(2-butyl-4-sulfanyl-phenoxy)ethanoate

Systemtic Name: methyl 2-(2-butyl-4-sulfanyl-phenoxy)ethanoate Openeye Name: methyl 2-(2-butyl-4-sulfanyl-phenoxy)acetate CAS Name: 2-(2-butyl-4-mercaptophenoxy)acetic acid methyl ester IUPAC Name: methyl 2-(2-butyl-4-sulfanylphenoxy)acetate Traditional Name: 2-(2-butyl-4-mercapto-phenoxy)acetic acid methyl ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)S)OCC(=O)OC

Isomeric SMILES

CCCCC1=C(C=CC(=C1)S)OCC(=O)OC

InChI

InChI=1S/C13H18O3S/c1-3-4-5-10-8-11(17)6-7-12(10)16-9-13(14)15-2/h6-8,17H,3-5,9H2,1-2H3